Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1162314 | 0.83 | TSHR (0.37) | MAPTCACNA1BAPBA1TSHRCYP3A4 | |
| SCHEMBL10790183 | 0.81 | TSHR (0.36) | MAPTCACNA1BAPBA1TSHRCYP3A4 | |
| SCHEMBL9547244 | 0.79 | MAPT (0.41) | MAPTCACNA1BAPBA1TSHRCYP3A4 | |
| SCHEMBL9547290 | 0.76 | MAPT (0.39) | MAPTCACNA1BAPBA1TSHRCYP3A4 | |
| SCHEMBL8382485 | 0.76 | ALOX15 (0.46) | MAPTALDH1A1HSD17B10PRSS1TPSAB1 | |
| SCHEMBL797852 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9547225 | 0.75 | TSHR (0.35) | TSHRCYP3A4 | |
| SCHEMBL9190708 | 0.74 | TSHR (0.36) | MAPTCACNA1BAPBA1TSHRCYP3A4 | |
| SCHEMBL9547338 | 0.74 | — | — | |
| SCHEMBL10690119 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499148-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-01-18 | — | — | EP | disclosed |
| WO-1993023402-A1 | 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-11-25 | — | — | WO | disclosed |